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95690-62-3 | 4-Oxazolol, 5-(2,4-dimethoxyphenyl)-4,5-dihydro-2-(3-pyridinyl)-, trans-
CAS No: 95690-62-3 Catalog No: AG005Z0D MDL No:
Product Description
Catalog Number:
AG005Z0D
Chemical Name:
4-Oxazolol, 5-(2,4-dimethoxyphenyl)-4,5-dihydro-2-(3-pyridinyl)-, trans-
CAS Number:
95690-62-3
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
5-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-ol
InChI:
InChI=1S/C16H16N2O4/c1-20-11-5-6-12(13(8-11)21-2)14-15(19)18-16(22-14)10-4-3-7-17-9-10/h3-9,14-15,19H,1-2H3
InChI Key:
XQUJNRKGROLCPB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1[C@@H]1OC(=N[C@H]1O)c1cccnc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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